2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide

C15H18BrFN2O — CID 79607339

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cc(Br)ccc1F
InChIInChI=1S/C15H18BrFN2O/c16-10-1-4-13(17)14(8-10)19-15(20)7-9-5-11-2-3-12(6-9)18-11/h1,4,8-9,11-12,18H,2-3,5-7H2,(H,19,20)
InChIKeyZFZHKDICPIHKSG-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.45
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide (PubChem CID 79607339) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
PubChem CID79607339
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cc(Br)ccc1F
InChIInChI=1S/C15H18BrFN2O/c16-10-1-4-13(17)14(8-10)19-15(20)7-9-5-11-2-3-12(6-9)18-11/h1,4,8-9,11-12,18H,2-3,5-7H2,(H,19,20)
InChIKeyZFZHKDICPIHKSG-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dibromophenyl)acetamide
CID 79606861
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81264370
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119702837
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107790306
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide;hydrochloride
CID 119708006
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103479368
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
CID 119800663
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide (CID 79607339) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1cc(Br)ccc1F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide?
The InChIKey is ZFZHKDICPIHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c16-10-1-4-13(17)14(8-10)19-15(20)7-9-5-11-2-3-12(6-9)18-11/h1,4,8-9,11-12,18H,2-3,5-7H2,(H,19,20).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide has a molecular weight of 341.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 79607339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).